Compile Data Set for Download or QSAR
Found 9 of affinity data for UniProtKB/TrEMBL: P20848
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577299(CHEMBL4875626)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1
Show InChI InChI=1S/C21H17F2N5/c22-20(23)16-8-15(10-24-11-16)14-6-7-17-18(9-14)28-19(12-25-17)26-27-21(28)13-4-2-1-3-5-13/h4,6-12,20H,1-3,5H2
Affinity DataIC50: 641nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577297(CHEMBL4851439)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1
Show InChI InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2
Affinity DataIC50: 2.36E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577300(CHEMBL4860779)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1
Show InChI InChI=1S/C22H19F2N5/c23-21(24)17-9-16(11-25-12-17)15-7-8-18-19(10-15)29-20(13-26-18)27-28-22(29)14-5-3-1-2-4-6-14/h5,7-13,21H,1-4,6H2
Affinity DataIC50: 2.89E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577296(CHEMBL4849035)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1
Show InChI InChI=1S/C20H15F2N5O/c21-19(22)15-7-14(9-23-10-15)13-1-2-16-17(8-13)27-18(11-24-16)25-26-20(27)12-3-5-28-6-4-12/h1-3,7-11,19H,4-6H2
Affinity DataIC50: 4.08E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577301(CHEMBL4850640)
Show SMILES CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F
Show InChI InChI=1S/C22H21F2N5O/c1-30-17-5-2-13(3-6-17)22-28-27-20-12-26-18-7-4-14(9-19(18)29(20)22)15-8-16(21(23)24)11-25-10-15/h4,7-13,17,21H,2-3,5-6H2,1H3/t13-,17+
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577298(CHEMBL4871998)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc([C@@H]4[C@H]5CCC[C@@H]45)n3c2c1
Show InChI InChI=1S/C21H17F2N5/c22-20(23)13-6-12(8-24-9-13)11-4-5-16-17(7-11)28-18(10-25-16)26-27-21(28)19-14-2-1-3-15(14)19/h4-10,14-15,19-20H,1-3H2/t14-,15+,19+
Affinity DataIC50: 6.16E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577295(CHEMBL4873263)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc([C@@H]4[C@H]5COC[C@@H]45)n3c2c1
Show InChI InChI=1S/C20H15F2N5O/c21-19(22)12-3-11(5-23-6-12)10-1-2-15-16(4-10)27-17(7-24-15)25-26-20(27)18-13-8-28-9-14(13)18/h1-7,13-14,18-19H,8-9H2/t13-,14+,18+
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577283(CHEMBL4867528)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
Show InChI InChI=1S/C20H17F2N5O/c21-19(22)15-7-14(9-23-10-15)13-1-2-16-17(8-13)27-18(11-24-16)25-26-20(27)12-3-5-28-6-4-12/h1-2,7-12,19H,3-6H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Bayer AG

Curated by ChEMBL
LigandPNGBDBM50577302(CHEMBL4860129)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F
Show InChI InChI=1S/C22H21F2N5O/c1-30-17-5-2-13(3-6-17)22-28-27-20-12-26-18-7-4-14(9-19(18)29(20)22)15-8-16(21(23)24)11-25-10-15/h4,7-13,17,21H,2-3,5-6H2,1H3/t13-,17-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid